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NASA NTRS2014

Advanced Supported Liquid Membranes for CO2 Control in Extravehicular Activity Applications

Developing a new, robust, portable life support system (PLSS) is currently a high priority for NASA in order to support longer and safer extravehicular activity (EVA) missions. One of the critical PLSS functions is maintaining the carbon dioxide (CO2) concentration in the suit at acceptable levels. Although the Metal Oxide (MetOx) canister has worked well, it has a finite CO2 adsorption capacity. Consequently, the unit would have to be larger and heavier to extend EVA times. Therefore, new CO2 control technologies must be developed to meet mission objectives without increasing the size of the PLSS. Although recent work has centered on sorbents that can be regenerated during the EVA, this strategy increases the system complexity and power consumption. A simpler approach is to use a membrane that selectively vents CO2 to space. A membrane has many advantages over current technology: it is a continuous system with no theoretical capacity limit, it requires no consumables, and it requires no hardware for switching beds between absorption and regeneration. Unfortunately, conventional gas separation membranes do not have adequate selectivity for use in the PLSS. However, the required performance could be obtained with a supported liquid membrane (SLM), which consists of a micro porous material filled with a liquid that selectively reacts with CO2 over oxygen (O2). In a current Phase II SBIR project, Reaction Systems has developed a new reactive liquid, which has effectively zero vapor pressure making it an ideal candidate for use in an SLM. The SLM function has been demonstrated with representative pressures of CO2, O2, and water (H2O). In addition to being effective for CO2 control, the SLM also vents moisture to space. Therefore, this project has demonstrated the feasibility of using an SLM to control CO2 in an EVA application.

Wickham, David T.↗
NASA NTRS2015

Continued Advancement of Supported Liquid Membranes for Carbon Dioxide Control in Extravehicular Activity Applications

The Development of a new, robust, portable life support system (PLSS) is currently a high NASA priority in order to support longer and safer extravehicular activity (EVA) missions that will be necessary as space travel extends to near-Earth asteroids and eventually Mars. One of the critical PLSS functions is maintaining the carbon dioxide (CO2) concentration in the suit at acceptable levels. The Metal Oxide (MetOx) canister has a finite CO2 adsorption capacity and therefore in order to extend mission times, the unit would have to be larger and heavier, which is undesirable; therefore new CO2 control technologies must be developed. While recent work has centered on the use of alternating sorbent beds that can be regenerated during the EVA, this strategy increases the system complexity and power consumption. A simpler approach is to use a membrane that vents CO2 to space but retains oxygen(O2). A membrane has many advantages over current technology: it is a continuous system with no theoretical capacity limit, it requires no consumables, and it requires no hardware for switching beds between absorption and regeneration. Conventional gas separation membranes do not have adequate selectivity for use in the PLSS, but the required performance could be obtained with a supported liquid membrane (SLM), which consists of a microporous film filled with a liquid that selectively reacts with CO2 over oxygen (O2). In a recently completed Phase II Small Business Innovative Research project, Reaction Systems developed a new reactive liquid that has effectively zero vapor pressure, making it an ideal candidate for use in an SLM. Results obtained with the SLM in a flat sheet configuration with representative pressures of CO2, O2, and water (H2O) have shown that the CO2 permeation rate and CO2/O2 selectivity requirements have been met. In addition, the SLM vents moisture to space very effectively. The SLM has also been prepared and tested in a hollow fiber form, which will be necessary to meet size requirements in the PLSS. In initial tests, the required CO2 permeance values have been obtained, while the current CO2/O2 selectivity values are somewhat lower than needed. However, the performance of the SLM is a strong function of the method used to impregnate the sorbent in the hollow fiber walls and rapid progress is being made in that area.

Wickham, David T.↗
NASA NTRS1984

Trapping of xenon in ice - Implications for the origin of the earth's noble gases

Although the earth's atmosphere contains Ne, Ar, and Kr in about C1,2-chondrite proportions, Xe is depleted about 20-fold. To test the suggestion that the 'missing' Xe is trapped in Antarctic ice, distribution coefficients for Xe in artifically formed frost at -20 to -60 C were measured, using Xe-127 tracer. The values are 0.098 + or - 0.004 cc STP/g atm for trapping and less than 5 cc STP/g atm for trapping plus adsorption. If these results are representative of natural ice, then the Antarctic ice cap contains less than 1 percent of the atmospheric Xe inventory, or not greater than about 0.001 the amount needed for a C1,2-chondrite pattern. Two possibilities remain for the 'missing' Xe, both on the premise that the earth's noble gases, along with other volatiles, came from chondritic material: (1) xenon is preferentially retained in the mantle and lower crust, due to the strong affinity of Xe for clean silicate surfaces and amorphous carbon; and (2) the source material of the earth's volatiles had high, relatively unfractionated, Ar/Xe and Kr/Xe ratios, like the non-carbonaceous noble gas carriers in C3O and E-chondrites.

Wacker, J. F.↗
NASA NTRS1993

Near-ambient solid polymer fuel cell

Fuel cells are extremely attractive for extraterrestrial and terrestrial applications because of their high energy conversion efficiency without noise or environmental pollution. Among the various fuel cell systems the advanced polymer electrolyte membrane fuel cells based on sulfonated fluoropolymers (e.g., Nafion) are particularly attractive because they are fairly rugged, solid state, quite conductive, of good chemical and thermal stability and show good oxygen reduction kinetics due to the low specific adsorption of the electrolyte on the platinum catalyst. The objective of this program is to develop a solid polymer fuel cell which can efficiently operate at near ambient temperatures without ancillary components for humidification and/or pressurization of the fuel or oxidant gases. During the Phase 1 effort we fabricated novel integral electrode-membrane structures where the dispersed platinum catalyst is precipitated within the Nafion ionomer. This resulted in electrode-membrane units without interfacial barriers permitting unhindered water diffusion from cathode to anode. The integral electrode-membrane structures were tested as fuel cells operating on H2 and O2 or air at 1 to 2 atm and 10 to 50 C without gas humidification. We demonstrated that cells with completely dry membranes could be self started at room temperature and subsequently operated on dry gas for extended time. Typical room temperature low pressure operation with unoptimized electrodes yielded 100 mA/cm(exp 2) at 0.5V and maximum currents over 300 mA/cm(exp 2) with low platinum loadings. Our results clearly demonstrate that operation of proton exchange membrane fuel cells at ambient conditions is feasible. Optimization of the electrode-membrane structure is necessary to assess the full performance potential but we expect significant gains in weight and volume power density for the system. The reduced complexity will make fuel cells also attractive for smaller and portable power supplies and as replacement for batteries.

Holleck, G. L.↗
NASA NTRS2015

Adsorption of Carbon Dioxide, Ammonia, Formaldehyde, and Water Vapor on Regenerable Carbon Sorbents

Results are presented on the development of reversible sorbents for the combined carbon dioxide, moisture, and trace‐contaminant (TC) removal for use in Extravehicular Activities (EVAs), and more specifically in the Primary Life Support System (PLSS). The currently available life support systems use separate units for carbon dioxide, trace contaminants, and moisture control, and the long‐term objective is to replace the above three modules with a single one. Furthermore, the current TC‐control technology involves the use of a packed bed of acid‐impregnated granular charcoal, which is nonregenerable, and the carbon‐based sorbent under development in this project can be regenerated by exposure to vacuum at room temperature. In this study, several carbon sorbents were fabricated and tested for simultaneous carbon dioxide, ammonia, formaldehyde, and water sorption. Multiple adsorption/vacuum‐regeneration cycles were demonstrated at room temperature, and also the enhancement of formaldehyde sorption by the presence of ammonia in the gas mixture.

Wojtowicz, Marek A.↗
NASA NTRS2015

Continued Advancement of Supported Liquid Membranes for Carbon Dioxide Control in Extravehicular Activity Applications

The development of a new, robust, portable life support system (PLSS) is a high priority for NASA in order to support longer and safer extravehicular activity (EVA) missions. One of the critical PLSS functions is maintaining the carbon dioxide (CO2) concentration in the suit at acceptable levels. Although the Metal Oxide (MetOx) canister has historically performed very well, it has a finite CO2 adsorption capacity. Therefore, the size and weight of the unit would have to be increased to extend EVA times. Consequently, new CO2 control technologies must be developed in order to meet mission objectives without increasing the size of the PLSS. Recent work has centered on sorbents that can be regenerated during the EVA; however, this strategy increases the system complexity and power consumption. A much simpler approach is to employ a membrane that vents CO2 to space and retains oxygen (O2). A membrane has many advantages over current technology: it is a continuous system with no limit on capacity, it requires no consumables, and it does not need any hardware to switch beds between absorption and regeneration. Unfortunately, conventional gas separation membranes do not have the needed selectivity for use in the PLSS. However, the required performance could be obtained with a supported liquid membrane (SLM), which consists of a microporous material filled with a liquid that selectively reacts with CO2 over O2. In a recently completed Phase II SBIR project, Reaction Systems, Inc. achieved the required CO2 permeance and selectivity with an SLM in a flat sheet configuration. This paper describes work to convert the SLM into a more compact form and to scale it up to handle more representative process flow rates.

Wickham, David T.↗
NASA NTRS1999

Experimental and Numerical Investigation of Adsorption/Desorption in Packed Sorption Beds Under Ideal and Non-Ideal Flows

The importance of the wall effect on packed beds in the adsorption and desorption of carbon dioxide, nitrogen, and water on molecular sieve 5A of 0.127 cm in radius is examined experimentally and with one-dimensional computer simulations. Experimental results are presented for a 22.5-cm long by 4.5-cm diameter cylindrical column with concentration measurements taken at various radial locations. The set of partial differential equations are solved using finite differences and Newman's method. Comparison of test data with the axial-dispersed, non-isothermal, linear driving force model suggests that a two-dimensional model (submitted to Separation Science and Technology) is required for accurate simulation of the average column breakthrough concentration. Additional comparisons of test data with the model provided information on the interactive effects of carrier gas coadsorption with CO2, as well as CO2-H2O interactions.

Mohamadinejad, H.↗
NASA NTRS2024

Xplo-SA9T: Optimization of Sorbent Technology With Existing and New Amine Variants for Carbon Dioxide Removal and Humidity Control

Scrubbing of the spacesuit air stream to control humidity and regulate carbon dioxide (CO 2 ) relies on amine-loaded resins, colloquially known as sorbents. The efficacy of Rapid Cycle Amine technology relies on the propensity of nitrogens toward adsorption of CO 2 while simultaneously offering regenerative properties under vacuum or positive pressure. The commonly utilized sorbent, SA9T, was recreated and evaluated further to increase stability and serve as a benchmark comparison for newly synthesized amine sorbent technologies. Ongoing storage studies with eight different environments will allow the development of applicable storage protocols and provide insight into possible ammonia generation pathways. Attempts to alleviate the known issues with SA9T included the alteration of the primary amine (tetraethylenepentamine), the choice of resin, and the particle size distribution. In-house CO 2 breakthrough experiments were conducted using a specialized apparatus that can simulate spacesuit conditions, offering high-quality triplicate capacity analysis affording direct comparison to known adsorbents in the literature. Thermo-Desorption Gas Chromatography Mass Spectrometry studies on the synthesized materials revealed any reagent or solvent offgassing while Nuclear Magnetic Resonance spectroscopy tracked the stability of the bound amine. Scanning Electron Microscope images of sieved materials provided a more accurate size interpretation facilitating synthetic design and pressure drop elimination. All efficient sorbents were synthesized to a commercial batch scale subsequent to evaluation including Xplo-SA9T.

John R Tidwell↗
NASA NTRS2016

Design and Development Comparison of Rapid Cycle Amine 1.0, 2.0, and 3.0

The development of the Rapid Cycle Amine (RCA) swing-bed technology for carbon dioxide (CO2) removal has been in progress since favorable results were published in 1996. Shortly thereafter, a prototype was designed, developed, and tested successfully and delivered to Johnson Space Center in 1999. An improved prototype (RCA 1.0) was delivered to NASA in 2006 and sized for the extravehicular activity (EVA). The RCA swing-bed technology is a regenerative system which employs two alternating solid-amine sorbent beds to remove CO2 and water. The two-bed design employs a chemisorption process whereby the beds alternate between adsorption and desorption. This process provides for an efficient RCA operation that enables one bed to be in adsorb (uptake) mode, while the other is in the desorb (regeneration) mode. The RCA has progressed through several iterations of technology readiness levels. Test articles have now been designed, developed, and tested for the advanced space suit portable life support system (PLSS) including RCA 1.0, RCA 2.0, and RCA 3.0. The RCA 3.0 was the most recent RCA fabrication and was delivered to NASA-JSC in June 2015. The RCA 1.0 test article was designed with a pneumatically actuated linear motion spool valve. The RCA 2.0 and 3.0 test articles were designed with a valve assembly which allows for switching between uptake and regeneration modes while minimizing gas volume losses to the vacuum source. RCA 2.0 and 3.0 also include an embedded controller design to control RCA operation and provide the capability of interfacing with various sensors and other ventilation loop components. The RCA technology is low power, small, and has fulfilled all test requirements levied upon the technology during development testing thus far. This paper will provide an overview of the design and development of RCA 1.0, 2.0 and 3.0 including detail differences between the design specifications of each. Nomenclature.

Chullen, Cinda↗
NASA NTRS2002

Evaluation of the Effect of Water Vapor On the Performance of NASA's NMRO Catalysts for Carbon Monoxide Oxidation

The Noble Metal Reducible Oxide (NMRO) catalysts for the low temperature oxidation of carbon monoxide were developed by NASA for the reoxidation of carbon monoxide which forms by the dissociation of carbon dioxide during the operation of sealed carbon dioxide lasers. The NMRO catalyst, which consists of a noble metal in conjunction with a reducible metal oxide, was evaluated under conditions that will be encountered in a CO2 laser operation, namely temperatures in the range 298 to 373 K and no significant reaction gas components other than CO, CO2 and O2. The NMRO catalysts may have significant potential for spin-off applications such as the prevention of carbon monoxide build-up in closed spaces as in space vehicle cabins or submarines, and the elimination of the cold start-up problem of automobile exhaust catalysts. The most significant difference in the conditions of these possible future applications is the high moisture content of the gases to be processed. Lack of understanding of the effects of water vapor and high temperature on catalyst activity and operation for extended periods are currently the main stumbling blocks for the transfer of this NASA technology to be used for commercial purposes. In the original proposal the following objectives were stated: To obtain experimental data on the adsorption, desorption and reaction characteristics of CO and CO2 the catalysts under high moisture conditions; to collect evidence on the presence of carbonate and hydroxyl surface species and their involvement in the CO oxidation mechanism; and to model the reaction system using a Monte-Carlo simulation to gain insight on the various steps involved. After the work has commenced the NASA technical monitor Mr. David Scheyer informed us that there was increased interest in the possible use of the NMRO catalysts as automobile exhaust catalysts and therefore NASA wanted to know whether the catalysts can operate at high temperatures as well as with high moisture gases. At that meeting it was decided that investigation of the high temperature performance of the NMRO catalysts should be given priority and replace the Monte-Carlo simulation objective. As a result, the modified objectives of the investigation were taken as the investigation of the high-temperature activity of the NMRO catalysts, and the effect of water vapor on the performance of these catalysts.

Akyurtlu, Ates↗
NASA NTRS2009

Investigating Liquid CO2 as a Coolant for a MTSA Heat Exchanger Design

Metabolic heat regenerated Temperature Swing Adsorption (MTSA) technology is being developed for thermal and carbon dioxide (CO 2) control for a future Portable Life Support System (PLSS), as well as water recycling. CO 2 removal and rejection is accomplished by driving a sorbent through a temperature swing of approximately 210 K to 280 K . The sorbent is cooled to these sub-freezing temperatures by a Sublimating Heat Exchanger (SHX) with liquid coolant expanded to sublimation temperatures. Water is the baseline coolant available on the moon, and if used, provides a competitive solution to the current baseline PLSS schematic. Liquid CO2 (LCO2) is another non-cryogenic coolant readily available from Martian resources which can be produced and stored using relatively low power and minimal infrastructure. LCO 2 expands from high pressure liquid (~5800 kPa) to Mars ambient (0.8 kPa) to produce a gas / solid mixture at temperatures as low as 156 K. Analysis and experimental work are presented to investigate factors that drive the design of a heat exchanger to effectively use this sink. Emphasis is given to enabling efficient use of the CO 2 cooling potential and mitigation of heat exchanger clogging due to solid formation. Minimizing mass and size as well as coolant delivery are also considered. The analysis and experimental work is specifically performed in an MTSA-like application to enable higher fidelity modeling for future optimization of a SHX design. In doing so, the work also demonstrates principles and concepts so that the design can be further optimized later in integrated applications (including Lunar application where water might be a choice of coolant).

Paul, Heather L.↗
NASA NTRSDate not supplied

Optimization of the 4-Bed CO2 Scrubber Performance Based on Ground Tests

Testing of ground hardware closely matching the flight design for the 4-Bed CO2Scrubber (4BCO2) has provided a wealth of information about the complex and highly coupled batch process. The 4BCO2 process is a Thermal and Vacuum Swing Adsorption (TVSA) cycle with recirculating flows. The ability to measure CO2concentration at intermediate points in this architecture is new to this ground test system and has revealed a better understanding of system performance and its dependence on system design, operational parameters, and boundary conditions. This paper will discuss a statistical analysis performed to identify significant correlations between performance factors and operational parameters. Using these new insights on the highly coupled system physics, means for improvements to system performance are proposed.

CO2 Removal↗
NASA NTRS2007

Transient Numerical Modeling of Catalytic Channels

This paper presents a transient model of catalytic combustion suitable for isolated channels and monolith reactors. The model is a lumped two-phase (gas and solid) model where the gas phase is quasi-steady relative to the transient solid. Axial diffusion is neglected in the gas phase; lateral diffusion, however, is accounted for using transfer coefficients. The solid phase includes axial heat conduction and external heat loss due to convection and radiation. The combustion process utilizes detailed gas and surface reaction models. The gas-phase model becomes a system of stiff ordinary differential equations while the solid phase reduces, after discretization, into a system of stiff ordinary differential-algebraic equations. The time evolution of the system came from alternating integrations of the quasi-steady gas and transient solid. This work outlines the numerical model and presents some sensitivity studies on important parameters including internal transfer coefficients, catalytic surface site density, and external heat-loss (if applicable). The model is compared to two experiments using CO fuel: (1) steady-state conversion through an isothermal platinum (Pt) tube and (2) transient propagation of a catalytic reaction inside a small Pt tube. The model requires internal mass-transfer resistance to match the experiments at lower residence times. Under mass-transport limited conditions, the model reasonably predicted exit conversion using global mass-transfer coefficients. Near light-off, the model results did not match the experiment precisely even after adjustment of mass-transfer coefficients. Agreement improved for the first case after adjusting the surface kinetics such that the net rate of CO adsorption increased compared to O2. The CO / O2 surface mechanism came from a sub-set of reactions in a popular CH4 / O2 mechanism. For the second case, predictions improved for lean conditions with increased external heat loss or adjustment of the kinetics as in the first case. Finally, the results show that different initial surface-species distribution leads to different steady-states under certain conditions. These results demonstrate the utility of a lumped two-phase model of a transient catalytic combustor with detailed chemistry.

Struk, Peter M.↗
NASA NTRSDate not supplied

Simulation of etch pit formation through active sites in carbon fiber micro-structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation as a result of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gasses such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗
NASA NTRS2000

Multisorbent tubes for collecting volatile organic compounds in spacecraft air

The sampling capability of Tenax-TA tubes, used in the National Aeronautics and Space Administration's solid sorbent air sampler to trap and concentrate contaminants from air aboard spacecraft, was improved by incorporating two sorbents within the tubes. Existing tubes containing only Tenax-TA allowed highly volatile compounds to "break through" during collection of a 1.5 L air sample. First the carbon molecular sieve-type sorbents Carboxen 569 and Carbosieve S-III were tested for their ability to quantitatively trap the highly volatile compounds. Breakthrough volumes were determined with the direct method, whereby low ppm levels of methanol or Freon 12 in nitrogen were flowed through the sorbent tubes at 30 mL/min, and breakthrough was detected by gas chromatography. Breakthrough volumes for methanol were about 9 L/g on Carboxen 569 and 11 L/g on Carbosieve S-III; breakthrough volumes for Freon 12 were about 7 L/g on Carboxen 569 and > 26 L/g on Carbosieve S-III. Next, dual-bed tubes containing either Tenax-TA/Carbosieve S-III, Tenax-TA/Carboxen 569, or Carbotrap/Carboxen 569 to a 10-component gas mixture were exposed, in dry and in humidified air (50% relative humidity), and percentage recoveries of each compound were determined. The Tenax-TA/Carboxen 569 combination gave the best overall recoveries (75-114% for the 10 compounds). Acetaldehyde had the lowest recovery (75%) of the 10 compounds, but this value was still an improvement over either the other two sorbent combinations or the original single-sorbent tubes.

NASA Center JSC↗
NASA NTRSDate not supplied

Techno-Economic Analysis of Green Hydrogen Energy Storage in A Cryogenic Flux Capacitor

The Cryogenic Flux Capacitor (CFC) is a cold, dense energy storage core that is being studied in the cryo-compressed, about 300 bar and 80K, region of gaseous hydrogen (GH 2 ) storage and liquid hydrogen (LH 2 ) region near the normal boiling point. Hydrogen storage is improved by physically bonding the molecules within the nanoscale pores of the aerogel composite blanket material. The process of bonding or debonding is governed by principles of physical adsorption (physisorption) and thermodynamics. The large surface area afforded by the nanoporous aerogel (~1,000 m 2 /g) allows its storage performance to easily exceed capacities of high-pressure GH 2 storage for an equivalent volume. With the integrated aerogel, subscale tests have shown that storage is increased by about 36% over a simple tank filled with GH 2 at the same operating temperature and pressure. For LH 2 conditions, the CFC is shown to operate at improved densities, but testing is ongoing. For the techno-economic analysis (TEA), the source of hydrogen is compared between onsite steam methane reforming (SMR) and onsite solar photovoltaic (PV) panels providing power to electrolyzers to produce green GH 2 . The TEA compares pure hydrogen produced at a small scale for a 25 MW power system and at a large scale in a 500 MW power system. The system allowed for hydrogen imports and exports at a set price with a tank sized for 10 hours of power production. The two power producing technologies are a combined cycle gas turbine (CCGT) and hydrogen fuel cells. The SMR system uses natural gas as an input and includes a carbon capture and storage (CCS) system. The levelized cost of electricity (LCOE), levelized cost of hydrogen (LCOH), and levelized cost of storage (LCOS) are developed based on the capital cost and operating cost of the systems. The results are shown for current costs using a 2021 benchmark and DOE projections for cost improvements by 2030. The TEA showed that onsite hydrogen generation from SMR has an LCOH of about 1.4 to 2 USD per kg over the life of the plant and the PV hydrogen production LCOH is about 5.2 to 5.5 USD per kg. The LCOS of conventional GH 2 systems is estimated to be $210/MWh and cost of storage for LH 2 systems is $205/MWh for fuel cell systems and $249/MWh for CCGT systems. CFC improved the LCOS of all these systems to $198/MWh, $191/MWh and $233/MWh respectively. The LCOE also improved with conventional systems between $171/MWh and $228/MWh improved by CFC to between $167/MWh and $212/MWh. Using projections for improvement in costs following DOE’s goals by 2030, green hydrogen improved to as low as $78/MWh LCOS and LCOE for conventional cases. CFC improved over conventional storage with the lowest LCOS being $62/MWh and the lowest LCOE being $73/MWh. These results correspond to an LCOH of $2/kg. Finally, the TEA shows how LCOE is improved for hydrogen conditioning and storage over conventional systems and caverns in the 10 to 50 hour range.

Joshua Schmitt↗
NASA NTRSDate not supplied

Implementation of Active Sites in DSMC to Capture Pitting of Oxidizing Carbon Materials

In this work we demonstrate a newly developed capability to capture pitting of carbon fibers in DSMC simulations, specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. State-of-the-art reactive surface models in DSMC compute collision dependent carbon consumption rates (usually through desorption of CO) based on a set of surface reactions that has been derived from molecular beam experiments. The reactivity on each carbon surface element is constant in those models, such that the carbon surface recedes uniformly as a result of ablation. However, it is well known that in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. These defective sites have a much higher reactivity than the average sites (2-3 orders of magnitude) and are first to react during ablation leading to its removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these ”active” sites. In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. Within this framework, we have implemented the capability of a single surface having multiple site sets with different reactivities. Using this feature, we can simulate the presence of active sites on carbon surfaces, whose reactivity is much greater than an average site as a result of defects. We have implemented the active site fraction as a property of surface elements within SPARTA, which is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface, and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we are able to capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗
NASA NTRSDate not supplied

Implementation of active sites to capture pitting of oxidizing carbon materials in DSMC.

In this work we demonstrate a newly developed capability to capture pitting of carbon fibers in DSMC simulations, specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code [1]. State-of-the-art reactive surface models in DSMC compute collision dependent carbon consumption rates (usually through desorption of CO) based on a set of surface reactions that has been derived from molecular beam experiments [2]. The reactivity on each carbon surface element is constant in those models, such that the carbon surface recedes uniformly as a result of ablation. However, it is well known that in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale [3]. These defective sites have a much higher reactivity than the average sites (2-3 orders of magnitude) and are first to react during ablation leading to its removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these ”active” sites (as shown in Fig. 1). In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms [4]. Within this framework, we have implemented the capability of a single surface having multiple site sets with different reactivities. Using this feature, we can simulate the presence of active sites on carbon surfaces, whose reactivity is much greater than an average site as a result of defects. We have implemented the active site fraction as a property of surface elements within SPARTA, which is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface, and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we are able to capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗